3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one

C22H26N4O3 — CID 11952335

IUPAC3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one
SMILESCOc1ccccc1C1(O)CCN(CCCn2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H26N4O3/c1-29-20-10-5-3-8-18(20)22(28)11-15-25(16-12-22)13-6-14-26-21(27)17-7-2-4-9-19(17)23-24-26/h2-5,7-10,28H,6,11-16H2,1H3
InChIKeyWWKUITOJJOAWAS-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.17
Rot. Bonds6

About 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one

3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one (PubChem CID 11952335) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one
PubChem CID11952335
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one
SMILESCOc1ccccc1C1(O)CCN(CCCn2nnc3ccccc3c2=O)CC1
InChIInChI=1S/C22H26N4O3/c1-29-20-10-5-3-8-18(20)22(28)11-15-25(16-12-22)13-6-14-26-21(27)17-7-2-4-9-19(17)23-24-26/h2-5,7-10,28H,6,11-16H2,1H3
InChIKeyWWKUITOJJOAWAS-UHFFFAOYSA-N
XLogP2.17
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one with MolForge

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Related Compounds

1-(3-carbazol-9-ylpropyl)-4-(2-methoxyphenyl)piperidin-4-ol;hydrochloride
CID 18782760
3-[5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-1,2,3-benzotriazin-4-one;hydrochloride
CID 15940841
3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
CID 24777372
3-[5-[4-(2-propoxyphenyl)piperazin-1-yl]pentyl]-1,2,3-benzotriazin-4-one
CID 15940684
1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 3228815
5-[[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46965878
N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4907081
methyl (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate
CID 39309806
4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoate
CID 7061910
3-[2-(4-methoxyphenoxy)ethyl]-1,2,3-benzotriazin-4-one
CID 2714405
(2-chlorophenyl) 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate
CID 34802734

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one (CID 11952335) is 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one is COc1ccccc1C1(O)CCN(CCCn2nnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one?
The InChIKey is WWKUITOJJOAWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-20-10-5-3-8-18(20)22(28)11-15-25(16-12-22)13-6-14-26-21(27)17-7-2-4-9-19(17)23-24-26/h2-5,7-10,28H,6,11-16H2,1H3.
What are the key properties of 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one?
3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one has a molecular weight of 394.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]propyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 11952335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).